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227183-98-4

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Basic Information
CAS No.: 227183-98-4
Name: 4-Fluoro-3-oxopentanoic acid methyl ester
Molecular Structure:
Molecular Structure of 227183-98-4 (4-Fluoro-3-oxopentanoic acid methyl ester)
Formula: C6H9FO3
Molecular Weight: 148.134
Density: 1.105 g/cm3
Boiling Point: 170.889 °C at 760 mmHg
Flash Point: 56.111 °C
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Specification

The 4-Fluoro-3-oxopentanoic acid methyl ester has CAS registry number 227183-98-4. Its molecular formula is C6H9FO3 and molecular weight is 148.1323. What's more, its systematic name is Methyl 4-fluoro-3-oxopentanoate.

Physical properties about the 4-Fluoro-3-oxopentanoic acid methyl ester are: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.39; (8)Molar Refractivity: 31.773 cm3; (9)Molar Volume: 134.002 cm3; (10)Surface Tension: 27.747 dyne/cm; (11)Density: 1.105 g/cm3; (12)Flash Point: 56.111 °C; (13)Enthalpy of Vaporization: 40.728 kJ/mol; (14)Boiling Point: 170.889 °C at 760 mmHg; (15)Vapour Pressure: 1.436 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(C(=O)CC(=O)OC)C
(2) InChI: InChI=1/C6H9FO3/c1-4(7)5(8)3-6(9)10-2/h4H,3H2,1-2H3
(3) InChIKey: BJCYJUJNPDUPIA-UHFFFAOYAP